4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine

C20H21ClN4 — CID 112920229

IUPAC4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)ccc2C)nc(NCCc2ccccc2)n1
InChIInChI=1S/C20H21ClN4/c1-14-8-9-17(21)13-18(14)24-19-12-15(2)23-20(25-19)22-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyACAVIEXDAJSXEG-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.15
Rot. Bonds6

About 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine

4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112920229) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112920229
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)ccc2C)nc(NCCc2ccccc2)n1
InChIInChI=1S/C20H21ClN4/c1-14-8-9-17(21)13-18(14)24-19-12-15(2)23-20(25-19)22-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyACAVIEXDAJSXEG-UHFFFAOYSA-N
XLogP5.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(5-chloro-2-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112953015
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
4-N-(4-chloro-2-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921420
3-N-(5-chloro-2-methylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952862
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112920864
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381
4-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921076
4-N-(2,5-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920871

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112920229) is 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2cc(Cl)ccc2C)nc(NCCc2ccccc2)n1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is ACAVIEXDAJSXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-14-8-9-17(21)13-18(14)24-19-12-15(2)23-20(25-19)22-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 352.87 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112920229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).